CID 173231332

C2H6BaOSe — CID 173231332

IUPAC—
SMILESC1CO1.[Ba+2].[H-].[H-].[Se]
InChIInChI=1S/C2H4O.Ba.Se.2H/c1-2-3-1;;;;/h1-2H2;;;;/q;+2;;2*-1
InChIKeyDMUXAJHQOHTLFB-UHFFFAOYSA-N
MW262.36 g/mol
LogP-0.52
Rot. Bonds

About CID 173231332

CID 173231332 (PubChem CID 173231332) has the molecular formula C2H6BaOSe and a molecular weight of 262.36 g/mol.

Molecular Properties

Compound NameCID 173231332
PubChem CID173231332
Molecular FormulaC2H6BaOSe
Molecular Weight262.36 g/mol
Exact Mass263.86
IUPAC Name—
SMILESC1CO1.[Ba+2].[H-].[H-].[Se]
InChIInChI=1S/C2H4O.Ba.Se.2H/c1-2-3-1;;;;/h1-2H2;;;;/q;+2;;2*-1
InChIKeyDMUXAJHQOHTLFB-UHFFFAOYSA-N
XLogP-0.52
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 5-0.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

dilithium;hydride;1,4,7,10,13-pentaoxacyclopentadecane
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neon;oxirane
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1,4-dioxane
CID 161483686
methane;oxirane
CID 21257745
CID 162223798
CID 162223798
magnesium;1,4-dioxane;hydride;hydrate
CID 174364272
argon;1,4-dioxane
CID 87641547
1,4-dioxane;stannane
CID 174822243
1,4-dioxane;silver
CID 157261770
potassium;1,4-dioxane;hydroxide
CID 70357034
methane;molecular iodine;oxirane
CID 158188645
cyclobutane;1,4-dioxane
CID 160886837

Frequently Asked Questions

What is the IUPAC name of CID 173231332?
The IUPAC name of CID 173231332 (CID 173231332) is not available.
What is the SMILES notation for CID 173231332?
The canonical SMILES for CID 173231332 is C1CO1.[Ba+2].[H-].[H-].[Se].
What is the InChIKey of CID 173231332?
The InChIKey is DMUXAJHQOHTLFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4O.Ba.Se.2H/c1-2-3-1;;;;/h1-2H2;;;;/q;+2;;2*-1.
What are the key properties of CID 173231332?
CID 173231332 has a molecular weight of 262.36 g/mol, XLogP of -0.52, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173231332 is sourced from PubChem (CID 173231332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).